In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 25th, 2010 | 16 | Yes |
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 3.22 | 7.07 | -51.36 | 0 | 3 | -1 | 53 | 234.662 | 1 | ↓ |
Lo Low (pH 4.5-6) | 3.22 | 7.46 | -51.61 | 1 | 3 | 0 | 54 | 235.67 | 1 | ↓ |